N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine

C12H22N4O — CID 66333622

IUPACN'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine
SMILESCCCOc1cc(N(CCC)CCN)ncn1
InChIInChI=1S/C12H22N4O/c1-3-6-16(7-5-13)11-9-12(15-10-14-11)17-8-4-2/h9-10H,3-8,13H2,1-2H3
InChIKeyWWZONFKZNRRQHB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.44
Rot. Bonds8

About N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine

N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine (PubChem CID 66333622) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine
PubChem CID66333622
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine
SMILESCCCOc1cc(N(CCC)CCN)ncn1
InChIInChI=1S/C12H22N4O/c1-3-6-16(7-5-13)11-9-12(15-10-14-11)17-8-4-2/h9-10H,3-8,13H2,1-2H3
InChIKeyWWZONFKZNRRQHB-UHFFFAOYSA-N
XLogP1.44
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine (CID 66333622) is N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine is CCCOc1cc(N(CCC)CCN)ncn1.
What is the InChIKey of N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine?
The InChIKey is WWZONFKZNRRQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-6-16(7-5-13)11-9-12(15-10-14-11)17-8-4-2/h9-10H,3-8,13H2,1-2H3.
What are the key properties of N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine?
N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-propoxypyrimidin-4-yl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 66333622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).